4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran

C24H14Br2O5S2 — CID 148827025

IUPAC4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran
SMILESO=S(=O)(c1cccc(Br)c1)c1cccc2c1oc1c(S(=O)(=O)c3cccc(Br)c3)cccc12
InChIInChI=1S/C24H14Br2O5S2/c25-15-5-1-7-17(13-15)32(27,28)21-11-3-9-19-20-10-4-12-22(24(20)31-23(19)21)33(29,30)18-8-2-6-16(26)14-18/h1-14H
InChIKeyOSXWVYUOOYESGH-UHFFFAOYSA-N
MW606.31 g/mol
LogP6.78
Rot. Bonds4

About 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran

4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran (PubChem CID 148827025) has the molecular formula C24H14Br2O5S2 and a molecular weight of 606.31 g/mol. Its IUPAC name is 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran.

Molecular Properties

Compound Name4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran
PubChem CID148827025
Molecular FormulaC24H14Br2O5S2
Molecular Weight606.31 g/mol
Exact Mass603.86
IUPAC Name4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran
SMILESO=S(=O)(c1cccc(Br)c1)c1cccc2c1oc1c(S(=O)(=O)c3cccc(Br)c3)cccc12
InChIInChI=1S/C24H14Br2O5S2/c25-15-5-1-7-17(13-15)32(27,28)21-11-3-9-19-20-10-4-12-22(24(20)31-23(19)21)33(29,30)18-8-2-6-16(26)14-18/h1-14H
InChIKeyOSXWVYUOOYESGH-UHFFFAOYSA-N
XLogP6.78
TPSA81.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.31
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran?
The IUPAC name of 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran (CID 148827025) is 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran.
What is the SMILES notation for 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran?
The canonical SMILES for 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran is O=S(=O)(c1cccc(Br)c1)c1cccc2c1oc1c(S(=O)(=O)c3cccc(Br)c3)cccc12.
What is the InChIKey of 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran?
The InChIKey is OSXWVYUOOYESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2O5S2/c25-15-5-1-7-17(13-15)32(27,28)21-11-3-9-19-20-10-4-12-22(24(20)31-23(19)21)33(29,30)18-8-2-6-16(26)14-18/h1-14H.
What are the key properties of 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran?
4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran has a molecular weight of 606.31 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(3-bromophenyl)sulfonyl]dibenzofuran is sourced from PubChem (CID 148827025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).